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CHEBI:140035 - oscr#33(1−)

ChEBI IDCHEBI:140035
ChEBI Nameoscr#33(1−)
Stars
ASCII Nameoscr#33(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#33, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC25H45O6
Net Charge-1
Average Mass441.629
Monoisotopic Mass441.32216
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C25H46O6/c1-21-22(26)20-23(27)25(31-21)30-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-24(28)29/h16,18,21-23,25-27H,2-15,17,19-20H2,1H3,(H,28,29)/p-1/b18-16+/t21-,22+,23+,25+/m0/s1
InChIKeyJXUDLBNWOUZIRD-KBTOCMJJSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#33(1−) (CHEBI:140035) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#33(1−) (CHEBI:140035) is conjugate base of oscr#33 (CHEBI:79155)
Incoming Relation(s)
oscr#33 (CHEBI:79155) is conjugate acid of oscr#33(1−) (CHEBI:140035)
IUPAC Name 
(2E)-19-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]nonadec-2-enoate